4-[[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(2-amino-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoic acid CAS Name: 4-[[(2-amino-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[(2-amino-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(2-amino-4-keto-1H-quinazolin-6-yl)amino]methyl]benzoic acid Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CC3=C(C=C2)NC(=NC3=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=CC3=C(C=C2)NC(=NC3=O)N)C(=O)O

InChI

InChI=1S/C16H14N4O3/c17-16-19-13-6-5-11(7-12(13)14(21)20-16)18-8-9-1-3-10(4-2-9)15(22)23/h1-7,18H,8H2,(H,22,23)(H3,17,19,20,21)